SCHEMBL11076539

SCHEMBL11076539

CC(=O)[C@@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 11/20 0.73
CYP3A4 P08684 4/20 0.64
LMNA P02545 4/20 0.64
MAPT P10636 4/20 0.64
CYP2C9 P11712 2/20 0.64
TSHR P16473 2/20 0.64
HIF1A Q16665 2/20 0.64
ALDH1A1 P00352 2/20 0.64
MAPK1 P28482 2/20 0.64
SMN1; SMN2 Q16637 2/20 0.64
GPBAR1 Q8TDU6 2/20 0.64
CYP2C19 P33261 1/20 0.64
KDM4E B2RXH2 1/20 0.64
MEN1 O00255 1/20 0.64
SLC22A2 O15244 1/20 0.64
SLC22A1 O15245 1/20 0.64
NR1I2 O75469 1/20 0.64
SLC22A3 O75751 1/20 0.64
ABCB11 O95342 1/20 0.64
NR3C1 P04150 1/20 0.64

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12029054 1.00 CYP19A1 (0.73) CYP19A1CYP3A4LMNAMAPTCYP2C9
SCHEMBL23383834 1.00 CYP19A1 (0.73) CYP19A1CYP3A4LMNAMAPTCYP2C9
SCHEMBL8981421 1.00 CYP19A1 (0.73) CYP19A1CYP3A4LMNAMAPTCYP2C9
SCHEMBL524063 1.00 CYP19A1 (0.73) CYP19A1CYP3A4LMNAMAPTCYP2C9
Fluoride SCHEMBL29039527 0.99 CYP19A1 (0.71) CYP19A1CYP3A4LMNAMAPTCYP2C9
SCHEMBL14645179 0.91 CYP19A1 (0.73) CYP19A1CYP3A4LMNAMAPTCYP2C9
SCHEMBL4220878 0.91 CYP19A1 (0.73) CYP19A1CYP3A4LMNAMAPTCYP2C9
SCHEMBL2705268 0.91 CYP19A1 (0.73) CYP19A1CYP3A4LMNAMAPTCYP2C9
SCHEMBL4218877 0.91 CYP19A1 (0.73) CYP19A1CYP3A4LMNAMAPTCYP2C9
SCHEMBL11774599 0.90 CYP19A1 (0.71) CYP19A1CYP3A4LMNAMAPTCYP2C9

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4472393-A ANTIINFLAMMATORY AGENTS SCHERING CORPORATION (US) 1984-09-18 US disclosed